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DOI:
https://doi.org/10.34804/supra.20210928356 Cc Cc by 4.0
Title:
NMR Study of the Reversible Trapping of SF6 by Cucurbit[6]uril in Aqueous Solution
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Description:
The complexation of sulfur hexafluoride (SF6), a highly potent greenhouse gas, by cucurbit[6]uril (CB) was studied at various temperatures in Na2SO4 aqueous solutions by 19F and 1H NMR. CB shows a remarkable affinity for SF6, suggesting that it is a suitable molecular container for the design of materials tailored for SF6 trapping. At 298 K, the equilibrium constant characterizing the inclusion of SF6 by CB is 3.1 × 104 M−1 and the residence time of SF6 within the CB cavity is estimated to be of the order of a few seconds. The enthalpic and entropic contributions to the free energy of encapsulation were determined and are discussed. This work also reports on the interest of SF6 in the framework of the spin-spy methodology. The advantages and drawbacks of solution-state 19F NMR of SF6 with respect to 129Xe NMR are discussed. SF6 comes forward as a versatile and informative spin-spy molecule for probing systems in solution because its detection limit by 19F NMR reaches the micromolar range with standard equipment and because quantitative integral measurements, relaxation time measurements, and demanding experiments, such as translational diffusion coefficient measurements, are easily carried out in addition to chemical shift measurements. Solution-state 19F NMR of SF6 emerges as a promising alternative to 129Xe NMR for probing cavities and for other applications relying on the encapsulation of an NMR active gaseous probe.
Citation:

M. Luhmer, L. Fusaro, E. Locci, A. Lai, SupraBank 2025, NMR Study of the Reversible Trapping of SF6 by Cucurbit[6]uril in Aqueous Solution (dataset). https://doi.org/10.34804/supra.20210928356

Link: https://doi.org/10.34804/supra.20210928356
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Citation:

L. Fusaro, E. Locci, A. Lai, M. Luhmer, J. Phys. Chem. B 2008, 112, 15014–15020.

Link: https://doi.org/10.1021/jp806685z
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Creators:
Orcidid | Ror | Luca Fusaro
Orcidid | Ror | Emanuela Locci
Orcidid | Ror | Adolfo Lai
Orcidid | Ror | Michel Luhmer
Contributers:
Orcidid | Ror | Anxhela Zhiti | DataManager

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